|
|
|
Substance Name: Malonic acid
RN: 141-82-2
UNII: 9KX7ZMG0MK
InChIKey: OFOBLEOULBTSOW-UHFFFAOYSA-N
Classification Codes
- Mutation Data
- Skin / Eye Irritant
Molecular Formula
- C3-H4-O4
Molecular Weight
- 104.061
- All
- Links to Resources
- Names & Synonyms
- Registry Numbers
- Structure Descriptors
- Toxicity
- Physical Properties
* denotes mobile formatted website
Links to Resources
NLM Resources (File Locators)
Regulatory Agencies (Superlist Locators)
Other Resources (Internet Locators)
Search for this InChIKey on the Web
Names and Synonyms
Name of Substance
- Malonic acid
Synonyms
- 4-02-00-01874 (Beilstein Handbook Reference)
- AI3-15375
- BRN 1751370
- Carboxyacetic acid
- Dicarboxymethane
- EINECS 205-503-0
- HSDB 8437
- Kyselina malonova
- Kyselina malonova [Czech]
- Malonic acid
- Methanedicarboxylic acid
- NSC 8124
- Propanedioic acid
- UNII-9KX7ZMG0MK
- USAF EK-695
Systematic Names
- Malonic acid
- Propanedioic acid
Registry Numbers
CAS Registry Number
- 141-82-2
FDA UNII
- 9KX7ZMG0MK
Other Registry Number
- 211863-95-5
Related Registry Numbers
- 141-95-7 (di-hydrochloride salt)
- 19455-76-6 (mono-calcium salt)
- 23549-97-5 (hydrochloride salt)
- 2757-18-8 (di-thallium salt)
- 926-71-6 (potassium salt)
System Generated Number
- 0000141822
Structure Descriptors
InChI
InChI=1S/C3H4O4/c4-2(5)1-3(6)7/h1H2,(H,4,5)(H,6,7)InChIKey
OFOBLEOULBTSOW-UHFFFAOYSA-NSmiles
OC(=O)Toxicity
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 300mg/kg (300mg/kg) | National Technical Information Service. Vol. AD277-689, | |
| mouse | LD50 | oral | 4gm/kg (4000mg/kg) | Biochemical Journal. Vol. 34, Pg. 1196, 1940. | |
| rabbit | LDLo | skin | 10gm/kg (10000mg/kg) | BIOFAX Industrial Bio-Test Laboratories, Inc., Data Sheets. Vol. 22-3/1971, | |
| rat | LC50 | inhalation | > 8900mg/m3/1H (8900mg/m3) | BIOFAX Industrial Bio-Test Laboratories, Inc., Data Sheets. Vol. 22-3/1971, | |
| rat | LD50 | intraperitoneal | 1500mg/kg (1500mg/kg) | "Patty's Industrial Hygiene and Toxicology," 3rd rev. ed., Clayton, G.D., and F.E. Clayton, eds., New York, John Wiley & Sons, Inc., 1978-82. Vol. 3 originally pub. in 1979; pub. as 2n rev. ed. in 1985.Vol. 2C, Pg. 4937, 1982. | |
| rat | LD50 | oral | 1310mg/kg (1310mg/kg) | LUNGS, THORAX, OR RESPIRATION: DYSPNEA BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: CYANOSIS | BIOFAX Industrial Bio-Test Laboratories, Inc., Data Sheets. Vol. 22-3/1971, |
Physical Properties
| Physical Property | Value | Units | Temp (deg C) | Source |
|---|---|---|---|---|
| Melting Point | 135 dec | deg C | EXP | |
| pKa Dissociation Constant | 2.85 | (none) | 25 | EXP |
| log P (octanol-water) | -0.81 | (none) | EXP | |
| Water Solubility | 7.63E+05 | mg/L | 25 | EXP |
| Vapor Pressure | 0.0015 | mm Hg | 25 | EXP |
| Henry's Law Constant | 2.69E-10 | atm-m3/mole | 25 | EST |
| Atmospheric OH Rate Constant | 1.57E-12 | cm3/molecule-sec | 25 | EST |
Physical property data is provided to ChemIDplus by SRC, Inc.